3-cyclohexyl-N-ethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

C19H29N — CID 63515103

IUPAC3-cyclohexyl-N-ethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCCNC1CCCCc2ccc(C3CCCCC3)cc21
InChIInChI=1S/C19H29N/c1-2-20-19-11-7-6-10-16-12-13-17(14-18(16)19)15-8-4-3-5-9-15/h12-15,19-20H,2-11H2,1H3
InChIKeyJRQTVUJANALHOD-UHFFFAOYSA-N
MW271.45 g/mol
LogP5.11
Rot. Bonds3

About 3-cyclohexyl-N-ethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

3-cyclohexyl-N-ethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (PubChem CID 63515103) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is 3-cyclohexyl-N-ethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.

Molecular Properties

Compound Name3-cyclohexyl-N-ethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
PubChem CID63515103
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name3-cyclohexyl-N-ethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCCNC1CCCCc2ccc(C3CCCCC3)cc21
InChIInChI=1S/C19H29N/c1-2-20-19-11-7-6-10-16-12-13-17(14-18(16)19)15-8-4-3-5-9-15/h12-15,19-20H,2-11H2,1H3
InChIKeyJRQTVUJANALHOD-UHFFFAOYSA-N
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.45
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-ethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The IUPAC name of 3-cyclohexyl-N-ethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (CID 63515103) is 3-cyclohexyl-N-ethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.
What is the SMILES notation for 3-cyclohexyl-N-ethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The canonical SMILES for 3-cyclohexyl-N-ethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is CCNC1CCCCc2ccc(C3CCCCC3)cc21.
What is the InChIKey of 3-cyclohexyl-N-ethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The InChIKey is JRQTVUJANALHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-2-20-19-11-7-6-10-16-12-13-17(14-18(16)19)15-8-4-3-5-9-15/h12-15,19-20H,2-11H2,1H3.
What are the key properties of 3-cyclohexyl-N-ethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
3-cyclohexyl-N-ethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine has a molecular weight of 271.45 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-ethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is sourced from PubChem (CID 63515103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).